SCHEMBL5265409

SCHEMBL5265409

O=c1cc[nH]n1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
POLB P06746 1/20 0.47
GABRA1 P14867 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA3 P34903 1/20 0.45
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
NOTUM Q6P988 1/20 0.38
SCN5A Q14524 1/20 0.38
EPHX2 P34913 1/20 0.38
MAPT P10636 5/20 0.37
GAA P10253 2/20 0.37
RECQL P46063 2/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10946405 0.77 TRPV1 (0.53) CCNA2CDK2CCNA1DAO
SCHEMBL20945293 0.72 TSHR (0.61) L3MBTL1POLBGABRA1GABRG2GABRB3
SCHEMBL22864545 0.70 POLB (0.62) L3MBTL1POLBGABRA1GABRG2GABRB3
SCHEMBL19120983 0.70 SMN1; SMN2 (0.53) L3MBTL1POLBGABRA1GABRG2GABRB3
SCHEMBL20945097 0.69 GABRA1 (0.50) L3MBTL1POLBGABRA1GABRG2GABRB3
SCHEMBL20945254 0.69 GABRA1 (0.62) L3MBTL1POLBGABRA1GABRG2GABRB3
SCHEMBL20944974 0.69 GABRA1 (0.59) L3MBTL1POLBGABRA1GABRG2GABRB3
SCHEMBL8721198 0.69 POLB (0.49) L3MBTL1POLBGABRA1GABRG2GABRB3
SCHEMBL254957 0.68 MAPT (0.56) L3MBTL1PIM1PIM2NOTUMEPHX2
SCHEMBL3006629 0.68 MGLL (0.58) L3MBTL1POLBMAPTLMNAALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1833800-A1 PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS AstraZeneca AB (SE) 2007-09-19 EP disclosed
WO-2006071730-A1 PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ASTRAZENECA AB (SE) 2006-07-06 WO disclosed